| SpectraBase Compound ID | J4fkjxmgAMQ |
|---|---|
| InChI | InChI=1S/C8H10ClNO/c1-5-4-10-7(3-9)6(2)8(5)11/h4H,3H2,1-2H3,(H,10,11) |
| InChIKey | ZYOPGXVIDGBHLM-UHFFFAOYSA-N |
| Mol Weight | 171.63 g/mol |
| Molecular Formula | C8H10ClNO |
| Exact Mass | 171.045092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 195hqjtWo7m |
|---|---|
| Name | 2-(Chloromethyl)-3,5-dimethyl-1H-pyridin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.045091645 u |
| Formula | C8H10ClNO |
| InChI | InChI=1S/C8H10ClNO/c1-5-4-10-7(3-9)6(2)8(5)11/h4H,3H2,1-2H3,(H,10,11) |
| InChIKey | ZYOPGXVIDGBHLM-UHFFFAOYSA-N |
| Molecular Weight | 171.627 g/mol |
| SMILES | C=1NC(CCl)=C(C(C1C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921261 |